ChemSpider 2D Image | (2E,4E)-(2-~2~H)-2,4-Hexadienal | C6H7DO

(2E,4E)-(2-2H)-2,4-Hexadienal

  • Molecular FormulaC6H7DO
  • Average mass97.133 Da
  • Monoisotopic mass97.063789 Da
  • ChemSpider ID29394432
  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2E,4E)-(2-2H)-2,4-Hexadienal [German] [ACD/IUPAC Name]
(2E,4E)-(2-2H)-2,4-Hexadienal [ACD/IUPAC Name]
(2E,4E)-(2-2H)-2,4-Hexadiénal [French] [ACD/IUPAC Name]
2,4-Hexadienal-2-d, (2E,4E)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 155.9±9.0 °C at 760 mmHg
Vapour Pressure: 3.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 39.3±3.0 kJ/mol
Flash Point: 67.8±0.0 °C
Index of Refraction: 1.450
Molar Refractivity: 30.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.06
ACD/LogD (pH 5.5): 1.16
ACD/BCF (pH 5.5): 4.53
ACD/KOC (pH 5.5): 102.54
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 4.53
ACD/KOC (pH 7.4): 102.54
Polar Surface Area: 17 Å2
Polarizability: 12.0±0.5 10-24cm3
Surface Tension: 26.4±3.0 dyne/cm
Molar Volume: 112.1±3.0 cm3

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